Chem
J-GLOBAL ID：200907019695249244   Nikkaji number：J19.648G

Setastine

セタスチン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C22H28ClNO
Molecular formula furigana： C22-H28-CL-N-O
Molecular weight： 357.920
InChI： InChI=1S/C22H28ClNO/c1-22(19-9-5-4-6-10-19,20-11-13-21(23)14-12-20)25-18-17-24-15-7-2-3-8-16-24/h4-6,9-14H,2-3,7-8,15-18H2,1H3
InChI key： VBSPHZOBAOWFCL-UHFFFAOYSA-N
SMILES： CC(OCCN1CCCCCC1)(c1ccccc1)c1ccc(Cl)cc1
Systematic name  (4)：
  • 1-[2-[1-(4-クロロフェニル)-1-フェニルエトキシ]エチル]ヘキサヒドロ-1H-アゼピン
  • 1-[2-[(4-クロロ-α-メチル-α-フェニルベンジル)オキシ]エチル]-ヘキサヒドロ-1H-アゼピン
  • 1-{2-[1-(4-クロロフェニル)-1-フェニルエトキシ]エチル}アゼパン
  • 1-{2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl}azepane
Other name (3)：
  • セタスチン
  • Setastine
  • 1-[2-[(4-Chloro-α-methyl-α-phenylbenzyl)oxy]ethyl]-hexahydro-1H-azepine
CAS registry number： 64294-95-7
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